7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-hydroxyquinazoline-2,4-dione

C19H24FN3O3 — CID 68590320

IUPAC7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-hydroxyquinazoline-2,4-dione
SMILESO=c1c2cc(F)c(NC3CCCCC3)cc2n(C2CCCC2)c(=O)n1O
InChIInChI=1S/C19H24FN3O3/c20-15-10-14-17(11-16(15)21-12-6-2-1-3-7-12)22(13-8-4-5-9-13)19(25)23(26)18(14)24/h10-13,21,26H,1-9H2
InChIKeyCLTGQPPGOKGDQT-UHFFFAOYSA-N
MW361.42 g/mol
LogP3.40
Rot. Bonds3

About 7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-hydroxyquinazoline-2,4-dione

7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-hydroxyquinazoline-2,4-dione (PubChem CID 68590320) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is 7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-hydroxyquinazoline-2,4-dione.

Molecular Properties

Compound Name7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-hydroxyquinazoline-2,4-dione
PubChem CID68590320
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC Name7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-hydroxyquinazoline-2,4-dione
SMILESO=c1c2cc(F)c(NC3CCCCC3)cc2n(C2CCCC2)c(=O)n1O
InChIInChI=1S/C19H24FN3O3/c20-15-10-14-17(11-16(15)21-12-6-2-1-3-7-12)22(13-8-4-5-9-13)19(25)23(26)18(14)24/h10-13,21,26H,1-9H2
InChIKeyCLTGQPPGOKGDQT-UHFFFAOYSA-N
XLogP3.40
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

7-(cyclohexylamino)-1-cyclopentyl-3-(2,3-dihydroxypropyl)-6-fluoroquinazoline-2,4-dione
CID 59311193
7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-(4-hydroxybutyl)quinazoline-2,4-dione
CID 59311303
2-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl]oxyacetic acid
CID 25028694
5-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl]-3,3-dimethyl-4-oxopentanoic acid
CID 59311163
[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl] 3,3-dimethylbutaneperoxoate
CID 91115110
2-[acetyl-[2-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl]ethyl]amino]acetic acid
CID 59311301
N-[2-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl]ethyl]-3,3,3-trifluoro-2-hydroxypropanamide
CID 59311291
ethyl 2-[2-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl]ethylamino]acetate
CID 59311158
methyl 4-[[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl]amino]pentanoate
CID 59311088
ethyl 4-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl]-2-methoxybutanoate
CID 59311209
7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-(3-phenylmethoxypropyl)quinazoline-2,4-dione
CID 59311085
4-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl]-3-phenylmethoxybutanoic acid
CID 59311067

Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-hydroxyquinazoline-2,4-dione?
The IUPAC name of 7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-hydroxyquinazoline-2,4-dione (CID 68590320) is 7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-hydroxyquinazoline-2,4-dione.
What is the SMILES notation for 7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-hydroxyquinazoline-2,4-dione?
The canonical SMILES for 7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-hydroxyquinazoline-2,4-dione is O=c1c2cc(F)c(NC3CCCCC3)cc2n(C2CCCC2)c(=O)n1O.
What is the InChIKey of 7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-hydroxyquinazoline-2,4-dione?
The InChIKey is CLTGQPPGOKGDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3/c20-15-10-14-17(11-16(15)21-12-6-2-1-3-7-12)22(13-8-4-5-9-13)19(25)23(26)18(14)24/h10-13,21,26H,1-9H2.
What are the key properties of 7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-hydroxyquinazoline-2,4-dione?
7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-hydroxyquinazoline-2,4-dione has a molecular weight of 361.42 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-hydroxyquinazoline-2,4-dione is sourced from PubChem (CID 68590320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).